8E23

Human DNA polymerase theta in complex with allosteric inhibitor

Summary for 8E23

• Entry DOI: 10.2210/pdb8e23/pdb
• Descriptor: DNA polymerase theta, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ... (7 entities in total)
• Functional Keywords: dna polymerase theta, inhibitor, allosteric, complex, dna binding protein, dna binding protein-dna complex, dna binding protein/dna
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 6
• Total formula weight: 170080.37

Authors

Mader, P.,Pau, V.P.T.,Sicheri, F. (deposition date: 2022-08-13, release date: 2022-09-28, Last modification date: 2023-10-18)

• Primary citation: Bubenik, M.,Mader, P.,Mochirian, P.,Vallee, F.,Clark, J.,Truchon, J.F.,Perryman, A.L.,Pau, V.,Kurinov, I.,Zahn, K.E.,Leclaire, M.E.,Papp, R.,Mathieu, M.C.,Hamel, M.,Duffy, N.M.,Godbout, C.,Casas-Selves, M.,Falgueyret, J.P.,Baruah, P.S.,Nicolas, O.,Stocco, R.,Poirier, H.,Martino, G.,Fortin, A.B.,Roulston, A.,Chefson, A.,Dorich, S.,St-Onge, M.,Patel, P.,Pellerin, C.,Ciblat, S.,Pinter, T.,Barabe, F.,El Bakkouri, M.,Parikh, P.,Gervais, C.,Sfeir, A.,Mamane, Y.,Morris, S.J.,Black, W.C.,Sicheri, F.,Gallant, M.; Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.; J.Med.Chem., 65:13198-13215, 2022; PubMed: 36126059; DOI: 10.1021/acs.jmedchem.2c00998

Experimental method

X-RAY DIFFRACTION (2.59 Å)